==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-11 3SIG . COMPND 2 MOLECULE: POLY(ADP-RIBOSE) GLYCOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOMONOSPORA CURVATA; . AUTHOR D.LEYS,M.S.DUNSTAN . 265 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 1 3 1 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A R > 0 0 66 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.5 25.1 -8.9 -18.3 2 4 A H H > + 0 0 154 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 360.0 47.9 -66.6 -39.9 28.1 -10.8 -17.3 3 5 A S H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 112.2 49.6 -66.4 -41.2 27.2 -10.6 -13.6 4 6 A R H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 95,-0.3 0.900 109.8 51.7 -60.6 -40.8 23.6 -11.7 -14.4 5 7 A R H X S+ 0 0 148 -4,-2.4 4,-2.3 93,-0.2 -2,-0.2 0.917 110.3 48.8 -62.8 -43.2 25.0 -14.6 -16.5 6 8 A A H X S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.917 111.6 48.9 -62.4 -44.0 27.2 -15.7 -13.5 7 9 A I H X S+ 0 0 38 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.937 109.8 52.4 -62.1 -44.7 24.3 -15.5 -11.1 8 10 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 88,-0.3 -2,-0.2 0.918 110.0 47.9 -57.1 -44.9 22.1 -17.5 -13.4 9 11 A A H X S+ 0 0 55 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 110.3 52.2 -64.6 -39.5 24.7 -20.3 -13.7 10 12 A E H X S+ 0 0 81 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.917 108.2 51.9 -62.2 -40.7 25.1 -20.3 -9.9 11 13 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.933 108.0 50.7 -63.5 -44.0 21.3 -20.7 -9.5 12 14 A V H X S+ 0 0 32 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.913 110.9 49.6 -58.8 -40.1 21.3 -23.7 -11.9 13 15 A E H X S+ 0 0 101 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.915 110.5 50.9 -60.4 -44.6 24.1 -25.2 -9.9 14 16 A I H X>S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.2 5,-0.5 0.910 108.1 51.5 -60.2 -43.3 22.1 -24.6 -6.7 15 17 A L H <5S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 114.0 44.8 -68.3 -30.1 19.1 -26.3 -8.2 16 18 A E H <5S+ 0 0 133 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.897 117.5 41.9 -74.2 -44.7 21.2 -29.3 -9.1 17 19 A R H <5S- 0 0 169 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.751 100.7-133.7 -79.2 -24.1 23.0 -29.6 -5.8 18 20 A G T <5S+ 0 0 6 -4,-2.4 12,-2.8 -5,-0.3 13,-1.7 0.567 73.2 60.5 83.1 15.8 19.9 -28.9 -3.7 19 21 A R E < -A 29 0A 146 -5,-0.5 2,-0.3 10,-0.3 -2,-0.2 -0.971 57.1-160.9-161.9 161.0 21.5 -26.4 -1.3 20 22 A Y E -A 28 0A 7 8,-1.8 8,-2.9 -2,-0.3 2,-0.6 -0.956 24.3-114.4-143.3 164.7 23.2 -23.0 -1.2 21 23 A T E -A 27 0A 82 -2,-0.3 6,-0.2 6,-0.2 134,-0.2 -0.904 28.1-148.1-105.2 118.4 25.4 -21.0 1.1 22 24 A A > - 0 0 5 4,-3.0 3,-1.8 -2,-0.6 134,-0.1 -0.299 33.2 -98.7 -76.2 167.3 23.9 -17.8 2.6 23 25 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.803 123.2 57.3 -62.9 -27.8 26.1 -14.8 3.4 24 26 A S T 3 S- 0 0 82 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.692 122.3-106.4 -68.6 -19.2 26.2 -15.7 7.1 25 27 A G S < S+ 0 0 44 -3,-1.8 2,-0.1 1,-0.4 -1,-0.1 0.182 73.4 144.7 104.0 -12.0 27.7 -19.1 6.1 26 28 A R - 0 0 110 -5,-0.1 -4,-3.0 1,-0.1 2,-0.7 -0.357 47.7-136.0 -56.2 133.3 24.5 -21.0 6.8 27 29 A V E -A 21 0A 81 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.862 21.0-156.5 -97.1 116.2 24.0 -23.8 4.3 28 30 A V E -A 20 0A 2 -8,-2.9 -8,-1.8 -2,-0.7 2,-0.3 -0.832 5.3-141.4-101.5 121.5 20.4 -23.7 3.3 29 31 A P E +A 19 0A 86 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.655 31.8 157.0 -81.5 135.7 18.7 -26.9 1.9 30 32 A I > + 0 0 3 -12,-2.8 4,-2.7 -2,-0.3 5,-0.3 0.379 42.5 100.0-132.7 -2.6 16.2 -26.5 -1.0 31 33 A A H > S+ 0 0 50 -13,-1.7 4,-2.8 1,-0.2 5,-0.2 0.899 85.6 47.7 -60.2 -43.1 16.0 -29.8 -2.8 32 34 A D H > S+ 0 0 124 -14,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 114.3 45.3 -64.9 -46.8 12.8 -30.9 -1.2 33 35 A H H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 114.3 49.4 -65.3 -37.4 11.0 -27.7 -1.8 34 36 A V H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.945 111.9 48.5 -63.9 -47.8 12.2 -27.5 -5.4 35 37 A A H X S+ 0 0 49 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.897 111.0 51.1 -59.6 -38.9 11.2 -31.1 -6.0 36 38 A Q H X S+ 0 0 110 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.912 109.8 49.6 -65.1 -44.9 7.7 -30.4 -4.5 37 39 A A H < S+ 0 0 2 -4,-2.3 4,-0.4 107,-0.3 -2,-0.2 0.924 113.2 46.6 -60.5 -43.8 7.3 -27.4 -6.7 38 40 A V H >< S+ 0 0 46 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.951 112.7 48.7 -63.8 -48.0 8.3 -29.3 -9.8 39 41 A R H 3< S+ 0 0 204 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 113.2 48.8 -64.9 -25.4 6.0 -32.3 -9.0 40 42 A G T 3< S+ 0 0 25 -4,-1.8 -1,-0.3 103,-0.2 -2,-0.2 0.412 83.7 120.3 -91.7 -2.7 3.1 -29.9 -8.3 41 43 A T < - 0 0 14 -3,-1.5 2,-0.4 -4,-0.4 101,-0.2 -0.461 43.3-169.3 -68.5 136.3 3.6 -28.0 -11.6 42 44 A R E -B 141 0B 136 99,-2.4 99,-2.9 -2,-0.2 2,-0.6 -0.980 19.8-142.9-132.1 138.0 0.6 -28.0 -13.9 43 45 A L E -B 140 0B 41 -2,-0.4 2,-0.5 97,-0.2 97,-0.2 -0.883 17.4-160.0 -93.2 124.7 -0.1 -27.0 -17.4 44 46 A Y E -B 139 0B 22 95,-3.2 95,-2.3 -2,-0.6 154,-0.0 -0.942 8.3-145.6-104.3 121.0 -3.6 -25.5 -18.0 45 47 A R >> - 0 0 110 -2,-0.5 4,-1.8 93,-0.2 3,-0.9 -0.469 31.5-103.0 -75.7 159.3 -4.8 -25.4 -21.6 46 48 A P H 3> S+ 0 0 31 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.843 119.5 50.9 -52.8 -40.3 -7.0 -22.5 -22.6 47 49 A E H 3> S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.783 105.2 54.8 -76.8 -24.5 -10.2 -24.4 -22.4 48 50 A K H <> S+ 0 0 101 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.920 109.6 47.9 -71.3 -40.2 -9.6 -25.7 -18.9 49 51 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.884 107.7 56.5 -64.3 -37.6 -9.1 -22.1 -17.7 50 52 A A H X S+ 0 0 38 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.902 104.3 53.1 -61.0 -39.5 -12.3 -21.2 -19.6 51 53 A V H >X S+ 0 0 89 -4,-1.8 4,-1.1 1,-0.2 3,-1.0 0.930 105.1 54.2 -61.1 -40.9 -14.1 -23.8 -17.5 52 54 A L H >< S+ 0 0 29 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.896 104.0 56.7 -58.1 -38.3 -12.8 -22.2 -14.3 53 55 A L H 3< S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.716 100.0 56.6 -69.5 -22.0 -14.3 -18.9 -15.4 54 56 A E H << 0 0 172 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.794 360.0 360.0 -73.5 -30.5 -17.8 -20.4 -15.7 55 57 A G << 0 0 105 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.300 360.0 360.0 -77.6 360.0 -17.4 -21.4 -12.1 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 67 A T 0 0 77 0, 0.0 2,-0.7 0, 0.0 187,-0.2 0.000 360.0 360.0 360.0 133.6 -10.0 -6.0 -1.7 58 68 A R E -c 244 0B 168 185,-2.5 187,-2.8 184,-0.0 2,-0.5 -0.777 360.0-170.6 -80.2 115.0 -6.8 -4.1 -0.6 59 69 A I E +c 245 0B 46 -2,-0.7 2,-0.4 185,-0.2 187,-0.2 -0.950 7.0 176.8-114.7 123.5 -5.3 -2.8 -3.9 60 70 A E E -c 246 0B 57 185,-2.3 187,-3.0 -2,-0.5 2,-0.5 -0.966 19.5-157.2-123.2 143.5 -1.8 -1.2 -3.7 61 71 A V E +c 247 0B 37 -2,-0.4 2,-0.3 185,-0.2 187,-0.2 -0.993 29.2 166.5-113.2 126.6 0.4 0.1 -6.5 62 72 A T E -c 248 0B 26 185,-2.5 187,-2.8 -2,-0.5 201,-0.0 -0.856 48.2-123.2-133.6 167.6 4.1 0.2 -5.5 63 73 A E S S+ 0 0 119 -2,-0.3 185,-0.1 185,-0.2 2,-0.1 0.169 71.6 125.7 -94.4 15.7 7.5 0.6 -7.1 64 74 A E - 0 0 41 183,-0.1 -2,-0.1 1,-0.1 186,-0.1 -0.331 66.2-112.6 -66.7 151.9 8.6 -2.8 -5.7 65 75 A T > - 0 0 22 184,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.406 37.4-102.8 -67.3 161.1 9.9 -5.6 -7.8 66 76 A T H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 123.5 46.0 -49.9 -51.7 7.7 -8.6 -8.1 67 77 A L H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.881 108.9 53.5 -67.2 -35.8 9.8 -10.5 -5.6 68 78 A A H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 111.3 46.6 -65.8 -43.0 10.1 -7.6 -3.1 69 79 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.935 112.6 50.4 -63.1 -45.4 6.3 -7.3 -3.0 70 80 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.924 110.7 49.4 -59.1 -39.8 5.9 -11.1 -2.6 71 81 A R H X S+ 0 0 120 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.898 110.0 50.9 -67.2 -42.4 8.5 -11.2 0.2 72 82 A R H X S+ 0 0 90 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.937 114.1 43.4 -58.8 -50.5 6.7 -8.3 2.0 73 83 A L H >X S+ 0 0 4 -4,-2.5 3,-1.0 1,-0.2 4,-0.8 0.898 110.4 55.7 -64.6 -38.6 3.3 -10.1 1.8 74 84 A T H >< S+ 0 0 39 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.875 104.7 53.7 -67.1 -30.7 4.7 -13.5 2.7 75 85 A G H 3< S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.724 106.7 54.2 -71.4 -20.2 6.2 -12.0 6.0 76 86 A A H << S+ 0 0 84 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 0.638 117.8 7.5 -97.5 -14.4 2.8 -10.6 7.0 77 87 A A << - 0 0 40 -4,-0.8 -1,-0.2 -3,-0.5 0, 0.0 -0.976 66.5-117.9-164.4 159.9 0.5 -13.7 6.8 78 88 A G S S+ 0 0 87 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.508 75.7 103.8 -87.6 -7.0 0.8 -17.5 6.3 79 89 A D S S- 0 0 68 1,-0.1 2,-0.1 125,-0.0 -2,-0.1 -0.600 81.3-106.9 -80.3 133.6 -1.3 -18.0 3.1 80 90 A Q - 0 0 61 -2,-0.3 126,-0.4 1,-0.1 125,-0.3 -0.388 32.2-134.8 -63.7 128.8 0.9 -18.5 0.1 81 91 A V - 0 0 0 80,-0.4 82,-2.8 -2,-0.1 2,-0.4 -0.536 11.2-141.2 -82.4 146.3 1.1 -15.5 -2.3 82 92 A A E -de 163 207B 1 124,-2.3 126,-2.4 80,-0.2 2,-0.4 -0.932 15.6-164.7-109.5 139.5 0.7 -16.0 -6.1 83 93 A C E -de 164 208B 0 80,-2.7 82,-2.4 -2,-0.4 2,-0.5 -0.968 19.0-125.9-124.4 135.4 2.8 -13.9 -8.5 84 94 A L E -d 165 0B 1 124,-2.3 2,-0.5 -2,-0.4 82,-0.2 -0.719 18.9-149.3 -79.6 122.0 2.4 -13.4 -12.3 85 95 A N E -d 166 0B 0 80,-2.9 2,-2.0 -2,-0.5 82,-1.3 -0.850 15.0-135.3 -87.0 122.1 5.5 -14.2 -14.3 86 96 A F E -d 167 0B 45 -2,-0.5 18,-0.5 80,-0.1 80,-0.1 -0.571 47.1-154.9 -81.1 81.5 5.7 -11.9 -17.3 87 97 A A - 0 0 0 -2,-2.0 2,-0.3 80,-0.9 82,-0.3 -0.226 26.2-129.3 -80.3 149.5 6.6 -15.0 -19.4 88 98 A S - 0 0 20 3,-0.4 5,-0.1 80,-0.1 6,-0.1 -0.654 16.7-148.2 -71.2 138.6 8.3 -15.8 -22.5 89 99 A A S S+ 0 0 0 -2,-0.3 38,-0.3 80,-0.1 39,-0.2 0.661 93.9 37.7 -77.5 -16.1 6.1 -18.1 -24.7 90 100 A E S S+ 0 0 75 1,-0.2 -1,-0.1 37,-0.1 38,-0.1 0.660 113.7 39.7-116.0 -27.0 9.2 -19.8 -26.1 91 101 A H S > S- 0 0 98 33,-0.0 3,-2.3 0, 0.0 -3,-0.4 -0.982 74.7-122.6-137.8 126.2 11.9 -20.2 -23.4 92 102 A P T 3 S+ 0 0 32 0, 0.0 4,-0.1 0, 0.0 22,-0.1 -0.492 104.6 8.3 -69.0 122.6 11.5 -21.1 -19.7 93 103 A G T > S- 0 0 0 -2,-0.3 3,-1.6 -5,-0.1 15,-0.1 0.558 108.2-121.7 79.2 9.4 13.1 -18.4 -17.6 94 104 A G T < S- 0 0 16 -3,-2.3 3,-0.3 1,-0.2 -7,-0.0 -0.295 72.2 -22.4 60.4-135.1 13.5 -16.3 -20.8 95 105 A G T > >S+ 0 0 25 1,-0.2 5,-2.1 2,-0.1 3,-1.3 -0.013 93.7 128.4 -93.3 27.3 17.1 -15.3 -21.5 96 106 A F G X 5 + 0 0 3 -3,-1.6 3,-1.6 1,-0.3 -88,-0.3 0.876 68.6 53.0 -60.9 -38.9 18.3 -15.7 -18.0 97 107 A L G 3 5S+ 0 0 69 -3,-0.3 -1,-0.3 1,-0.3 -88,-0.1 0.700 107.8 52.0 -71.1 -17.4 21.2 -17.9 -18.7 98 108 A S G < 5S- 0 0 101 -3,-1.3 -1,-0.3 -90,-0.1 -93,-0.2 0.325 123.1-106.2 -91.7 3.1 22.5 -15.5 -21.3 99 109 A G T < 5 + 0 0 2 -3,-1.6 -3,-0.2 -4,-0.3 -95,-0.2 0.672 60.1 165.9 82.8 17.8 22.3 -12.7 -18.7 100 110 A A < - 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